Showing metabocard for Glycyl-Histidine (BMDB0063888)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:28:24 UTC
Update Date2020-04-22 15:55:45 UTC
BMDB IDBMDB0063888
Secondary Accession Numbers
  • BMDB63888
Metabolite Identification
Common NameGlycyl-Histidine
DescriptionGlycyl-Histidine belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review a significant number of articles have been published on Glycyl-Histidine.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
g-H DipeptideHMDB
GH DipeptideHMDB
Gly-hisHMDB
Glycine histidine dipeptideHMDB
Glycine-histidine dipeptideHMDB
GlycylhistidineHMDB
L-Glycyl-L-histidineHMDB
Glycyl-L-histidineMeSH, HMDB
Glycylhistidine, monohydrochlorideMeSH, HMDB
2-[(2-Amino-1-hydroxyethylidene)amino]-3-(1H-imidazol-5-yl)propanoateGenerator, HMDB
Chemical FormulaC8H12N4O3
Average Molecular Weight212.2059
Monoisotopic Molecular Weight212.09094027
IUPAC Name2-(2-aminoacetamido)-3-(1H-imidazol-5-yl)propanoic acid
Traditional Name2-(2-aminoacetamido)-3-(3H-imidazol-4-yl)propanoic acid
CAS Registry NumberNot Available
SMILES
NCC(=O)NC(CC1=CN=CN1)C(O)=O
InChI Identifier
InChI=1S/C8H12N4O3/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)
InChI KeyYIWFXZNIBQBFHR-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Histidine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Organoheterocyclic compound
  • Carboxylic acid
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-3ALOGPS
logP-4.6ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)3.27ChemAxon
pKa (Strongest Basic)8.16ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area121.1 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity50.86 m³·mol⁻¹ChemAxon
Polarizability20.18 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0252881
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111880
KNApSAcK IDNot Available
Chemspider ID369451
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound417360
PDB IDNot Available
ChEBI ID172454
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available